CID 22670037

1,1,1,2,2,3,3,4,4-nonafluoro-4-propoxybutane

Structural Information

Molecular Formula
C7H7F9O
SMILES
CCCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F9O/c1-2-3-17-7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H2,1H3
InChIKey
TVOMDPDLBZJPTG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-4-propoxybutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

278.0353 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04258 150.4
[M+Na]+ 301.02452 159.3
[M-H]- 277.02802 140.0
[M+NH4]+ 296.06912 166.0
[M+K]+ 316.99846 157.3
[M+H-H2O]+ 261.03256 139.6
[M+HCOO]- 323.03350 158.2
[M+CH3COO]- 337.04915 199.7
[M+Na-2H]- 299.00997 154.7
[M]+ 278.03475 138.8
[M]- 278.03585 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe